methyl 2-(5-naphthalen-2-yl-1H-indol-3-yl)acetate

C21H17NO2 — CID 131953225

IUPACmethyl 2-(5-naphthalen-2-yl-1H-indol-3-yl)acetate
SMILESCOC(=O)Cc1c[nH]c2ccc(-c3ccc4ccccc4c3)cc12
InChIInChI=1S/C21H17NO2/c1-24-21(23)12-18-13-22-20-9-8-17(11-19(18)20)16-7-6-14-4-2-3-5-15(14)10-16/h2-11,13,22H,12H2,1H3
InChIKeyNEWRPFXZCIZPQL-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.70
Rot. Bonds3

About methyl 2-(5-naphthalen-2-yl-1H-indol-3-yl)acetate

methyl 2-(5-naphthalen-2-yl-1H-indol-3-yl)acetate (PubChem CID 131953225) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is methyl 2-(5-naphthalen-2-yl-1H-indol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-naphthalen-2-yl-1H-indol-3-yl)acetate
PubChem CID131953225
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Namemethyl 2-(5-naphthalen-2-yl-1H-indol-3-yl)acetate
SMILESCOC(=O)Cc1c[nH]c2ccc(-c3ccc4ccccc4c3)cc12
InChIInChI=1S/C21H17NO2/c1-24-21(23)12-18-13-22-20-9-8-17(11-19(18)20)16-7-6-14-4-2-3-5-15(14)10-16/h2-11,13,22H,12H2,1H3
InChIKeyNEWRPFXZCIZPQL-UHFFFAOYSA-N
XLogP4.70
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Indole-3-Acetic Acid
CID 802
Methyl indole-3-acetate
CID 74706
Carmoxirole
CID 57364
Ethyl 1H-indole-3-acetate
CID 13067
Indole-3-acetate
CID 801
methyl 1H-indole-5-carboxylate
CID 2737635
5-Fluoroindole-3-acetic acid
CID 96750
5-Methyl-L-tryptophan, 2
CID 25201460
TRPM8 antagonist 2
CID 57055437
Methyl 3-(1H-indol-3-yl)propanoate
CID 21711
2-(7-methyl-1H-indol-3-yl)acetic acid
CID 228473
2-(4-methyl-1H-indol-3-yl)acetic acid
CID 22490432

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-naphthalen-2-yl-1H-indol-3-yl)acetate?
The IUPAC name of methyl 2-(5-naphthalen-2-yl-1H-indol-3-yl)acetate (CID 131953225) is methyl 2-(5-naphthalen-2-yl-1H-indol-3-yl)acetate.
What is the SMILES notation for methyl 2-(5-naphthalen-2-yl-1H-indol-3-yl)acetate?
The canonical SMILES for methyl 2-(5-naphthalen-2-yl-1H-indol-3-yl)acetate is COC(=O)Cc1c[nH]c2ccc(-c3ccc4ccccc4c3)cc12.
What is the InChIKey of methyl 2-(5-naphthalen-2-yl-1H-indol-3-yl)acetate?
The InChIKey is NEWRPFXZCIZPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c1-24-21(23)12-18-13-22-20-9-8-17(11-19(18)20)16-7-6-14-4-2-3-5-15(14)10-16/h2-11,13,22H,12H2,1H3.
What are the key properties of methyl 2-(5-naphthalen-2-yl-1H-indol-3-yl)acetate?
methyl 2-(5-naphthalen-2-yl-1H-indol-3-yl)acetate has a molecular weight of 315.37 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-naphthalen-2-yl-1H-indol-3-yl)acetate is sourced from PubChem (CID 131953225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).